SCHEMBL5723076

SCHEMBL5723076

COc1ccc(C=C(C#N)C#N)c2c1OC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
THRB P10828 1/20 0.44
FFAR4 Q5NUL3 4/20 0.38
EGFR P00533 4/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5722944 0.82 SMN1; SMN2 (0.38) KMT2AMEN1FFAR4EGFRKDM4E
SCHEMBL5722948 0.82 SMN1; SMN2 (0.38) KMT2AMEN1FFAR4EGFRKDM4E
SCHEMBL5722938 0.82 SMN1; SMN2 (0.38) KMT2AMEN1FFAR4EGFRKDM4E
SCHEMBL5722906 0.78 FFAR4 (0.42) KMT2AFFAR4KDM4EALDH1A1HPGD
SCHEMBL3451196 0.71 KDM4E (0.42) KMT2AFFAR4KDM4EALDH1A1MAPT
SCHEMBL12765037 0.71 ALDH1A1 (0.45) KMT2AMEN1FFAR4KDM4EALDH1A1
SCHEMBL8377079 0.71 MAPT (0.42) KMT2AMEN1THRBFFAR4ALDH1A1
SCHEMBL5722869 0.71 MAPT (0.50) FFAR4KDM4EALDH1A1MAPTCYP1A2
SCHEMBL5722875 0.71 MAPT (0.50) FFAR4KDM4EALDH1A1MAPTCYP1A2
SCHEMBL3598687 0.70 FFAR4 (0.40) KMT2AFFAR4KDM4EALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-09-12 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020128290-A1 DERIVATIVES OF BENZOFURAN OR BENZODIOXOLE CBR1, CBR3, CYC1 KMT2A 4289/4885MEN1 4379/4885THRB 1933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.